3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide

C14H28N4O2S — CID 91829919

IUPAC3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1n[nH]c(C)c1CCCN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H28N4O2S/c1-12-14(13(2)16-15-12)8-6-9-18(5)10-7-11-21(19,20)17(3)4/h6-11H2,1-5H3,(H,15,16)
InChIKeyBYAJUULXWVQNNQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.17
Rot. Bonds9

About 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide

3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91829919) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91829919
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1n[nH]c(C)c1CCCN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H28N4O2S/c1-12-14(13(2)16-15-12)8-6-9-18(5)10-7-11-21(19,20)17(3)4/h6-11H2,1-5H3,(H,15,16)
InChIKeyBYAJUULXWVQNNQ-UHFFFAOYSA-N
XLogP1.17
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide (CID 91829919) is 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide is Cc1n[nH]c(C)c1CCCN(C)CCCS(=O)(=O)N(C)C.
What is the InChIKey of 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is BYAJUULXWVQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-12-14(13(2)16-15-12)8-6-9-18(5)10-7-11-21(19,20)17(3)4/h6-11H2,1-5H3,(H,15,16).
What are the key properties of 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91829919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).